3,3-DIFLUOROAZETIDINE HYDROCHLORIDE

Base Information

• Chemical Name: 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE
• CAS No.: 288315-03-7
• Molecular Formula: C3H5F2N^.HCl
• Molecular Weight: 129.537
• Hs Code.: 29339900
• European Community (EC) Number: 621-190-7
• DSSTox Substance ID: DTXSID00374238
• Mol file: 288315-03-7.mol

Synonyms:Azetidine,3,3-difluoro-, hydrochloride (9CI);

Chemical Property of 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE

Chemical Property:

• Appearance/Colour: white or light brown crystalline powder
• Vapor Pressure: 275mmHg at 25°C
• Melting Point: 138-143 °C
• Boiling Point: 51.5 °C at 760 mmHg
• PSA: 12.03000
• LogP: 1.35570
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 129.0156832
• Heavy Atom Count: 7
• Complexity: 55.8

Purity/Quality:

98%, ^*data from raw suppliers

3,3-Difluoroazetidine hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1)(F)F.Cl
• Uses: 3,3-Difluoroazetidine Hydrochloride is used in preparation of Dihydropyrimidine compounds as antiviral agents.

Technology Process of 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE

There total 3 articles about 3,3-DIFLUOROAZETIDINE HYDROCHLORIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

3,3'-difluoroazetidine-1-carboxylate → 3,3-difluoroazetidine hydrochloride (288315-03-7)

Guidance literature:

With hydrogenchloride; In water; ethyl acetate; at 20 ℃;

DOI:10.1039/c9nj02569c

Reference yield: 80.1%

3,3-difluoro-1-benzhydrylazetidine (288315-02-6) → 3,3-difluoroazetidine hydrochloride (288315-03-7)

Guidance literature:

With hydrogen; In methanol; at 40 ℃; under 2585.81 Torr;

Reference yield:

→ 3,3-difluoroazetidine hydrochloride (288315-03-7)

Guidance literature:

upstream raw materials:

3,3-difluoro-1-benzhydrylazetidine

Downstream raw materials:

1-(2,6-difluoro-4-nitrophenyl)-3,3-difluoroazetidine

2-(3,3-difluoroazetidin-1-yl)-5-nitropyridine

1-(2,4-dichlorophenyl)-2-{4-[(3,3-difluoroazetidin-1-yl)methyl]phenyl}-3-methyl-5-piperidin-1-yl-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triazol-1-yl)-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one

Refernces

• 1、 -. "Tigecycline derivatives (by machine translation)". Paragraph 0336-0338. . Retrieved 2016/10/10.